1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine

C14H24N4 — CID 66118178

IUPAC1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCn1cncc1CN1CCCCC1C1CCCN1
InChIInChI=1S/C14H24N4/c1-17-11-15-9-12(17)10-18-8-3-2-6-14(18)13-5-4-7-16-13/h9,11,13-14,16H,2-8,10H2,1H3
InChIKeyJENMPKBENJJALO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.53
Rot. Bonds3

About 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 66118178) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID66118178
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCn1cncc1CN1CCCCC1C1CCCN1
InChIInChI=1S/C14H24N4/c1-17-11-15-9-12(17)10-18-8-3-2-6-14(18)13-5-4-7-16-13/h9,11,13-14,16H,2-8,10H2,1H3
InChIKeyJENMPKBENJJALO-UHFFFAOYSA-N
XLogP1.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyclopropylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 66142457
1-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256578
(3aR,8aR)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepine
CID 155982518
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546696
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103511553
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 66118178) is 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine is Cn1cncc1CN1CCCCC1C1CCCN1.
What is the InChIKey of 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is JENMPKBENJJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-11-15-9-12(17)10-18-8-3-2-6-14(18)13-5-4-7-16-13/h9,11,13-14,16H,2-8,10H2,1H3.
What are the key properties of 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 248.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 66118178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).